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Molecular Modeling of the Structure and Energetics of Hydrotalcite Hydration

โœ Scribed by Wang, Jianwei; Kalinichev, Andrey G.; Kirkpatrick, R. James; Hou, Xiaoqiang

Book ID
115439169
Publisher
American Chemical Society
Year
2001
Tongue
English
Weight
164 KB
Volume
13
Category
Article
ISSN
0897-4756

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๐Ÿ“œ SIMILAR VOLUMES

Energetics and structure of the hydrated
Energetics and structure of the hydrated gaseous halide anions
โœ B. Thimme Gowda; Sidney W. Benson ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› John Wiley and Sons ๐ŸŒ English โš– 963 KB

Energetics and geometries for the hydrated gaseous halide anions have been computed from a simple model in which the molecular dipole of water was composed of two parts, one due to a lone pair on oxygen (60%) and the rest to formal charges on the nuclei. The calculations were made for both the symme